SCHEMBL1851704

SCHEMBL1851704

CCCCc1oc2ccccc2c1CNC(=O)c1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.46
MAPK14 Q16539 1/20 0.43
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
PTPN1 P18031 4/20 0.42
PPARG P37231 3/20 0.41
EPHX2 P34913 2/20 0.41
PPARA Q07869 2/20 0.41
EYA3 Q99504 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MTTP P55157 1/20 0.39
PPARD Q03181 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
OPRK1 P41145 1/20 0.39
MAOA P21397 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1855758 0.91 LSS (0.44) LSSMAPK14TMEM97SIGMAR1PTPN1
SCHEMBL5044450 0.89 MAPK14 (0.47) LSSMAPK14PTPN1PPARGEPHX2
SCHEMBL1854032 0.88 LSS (0.41) LSSMAPK14TMEM97SIGMAR1PTPN1
SCHEMBL1856867 0.84 TMEM97 (0.50) TMEM97SIGMAR1PTPN1EYA3NR1H4
SCHEMBL5044446 0.82 PPARG (0.45) LSSMAPK14PTPN1PPARGEPHX2
SCHEMBL4321965 0.79 LSS (0.57) LSSMAPK14PPARGEPHX2PPARA
SCHEMBL6022117 0.77 PTPN1 (0.51) PTPN1EYA3NR1H4HDAC3HDAC1
SCHEMBL4331561 0.76 TMEM97 (0.45) TMEM97SIGMAR1PTPN1EYA3NR1H4
SCHEMBL1852987 0.75 TMEM97 (0.56) LSSTMEM97SIGMAR1EPHX2HDAC3
SCHEMBL1853427 0.75 TMEM97 (0.56) LSSTMEM97SIGMAR1EPHX2HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 LSS 2931/4885MAPK14 2807/4885TMEM97 2395/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 LSS 1405/4885MAPK14 1261/4885TMEM97 3884/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.